UCSF

ZINC20265576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 26 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.59 9.51 -10.15 0 4 0 54 474.2 4
Lo Low (pH 4.5-6) 4.59 11.48 -57.34 1 4 1 55 475.208 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )